Geometry & MOs

Info

ID:	377074
PubChem CID:	134223112
Reduced:	ClNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-38.57
Dipole, Da:	2.24
IP(EA), eV:	-9.5(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-1,7-dimethyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

C[C@H]1C2=C(C=C(C=C2)Cl)[C@@H](CO1)N

DOS

IR

Vibrations